Geometry & MOs

Info

ID:	290468
PubChem CID:	104598880
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	347.97212
ΔH_f, kcal/mol:	-112.02
Dipole, Da:	6.93
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)CN2CCCCC2(C)C(=O)O

DOS

IR

Vibrations